1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

C25H22FN5O2 — CID 58577318

IUPAC1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCC1(C)CCN(c2ccc(-n3ccc(=O)c(-c4ccnn4-c4ccccc4)n3)c(F)c2)C1=O
InChIInChI=1S/C25H22FN5O2/c1-25(2)12-15-29(24(25)33)18-8-9-20(19(26)16-18)30-14-11-22(32)23(28-30)21-10-13-27-31(21)17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3
InChIKeyNBNJQGHBJUZBQY-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.99
Rot. Bonds4

About 1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58577318) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58577318
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCC1(C)CCN(c2ccc(-n3ccc(=O)c(-c4ccnn4-c4ccccc4)n3)c(F)c2)C1=O
InChIInChI=1S/C25H22FN5O2/c1-25(2)12-15-29(24(25)33)18-8-9-20(19(26)16-18)30-14-11-22(32)23(28-30)21-10-13-27-31(21)17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3
InChIKeyNBNJQGHBJUZBQY-UHFFFAOYSA-N
XLogP3.99
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Balipodect
CID 46848915
3-[3-Fluoranyl-4-[5-Methoxy-4-Oxidanylidene-3-(2-Phenylpyrazol-3-Yl)pyridazin-1-Yl]phenyl]-1,3-Oxazolidin-2-One
CID 46848917
1-[2-Fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
CID 46848741
1-(2-Fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 122194381
N-(3-{3-[2-(2-Fluoro-phenyl)-2H-pyrazol-3-yl]-4-oxo-4H-pyridazin-1-yl}-phenyl)-N-methyl-acetamide
CID 59370073
N-(3-{3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-4-oxopyridazin-1(4H)-yl}phenyl)acetamide
CID 46218709
2-ethyl-8-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2,8-diazaspiro[4.5]decan-3-one
CID 70733308
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71994283
3-[3-Fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazol-2-one
CID 92044065
3-[1-(4-fluorobenzoyl)-1H-pyrazol-3-yl]-1-phenyl-4(1H)-pyridazinone
CID 1479687
[1-(4-Fluorophenyl)-5-methylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 8080123
5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide
CID 31853768

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58577318) is 1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is CC1(C)CCN(c2ccc(-n3ccc(=O)c(-c4ccnn4-c4ccccc4)n3)c(F)c2)C1=O.
What is the InChIKey of 1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is NBNJQGHBJUZBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-25(2)12-15-29(24(25)33)18-8-9-20(19(26)16-18)30-14-11-22(32)23(28-30)21-10-13-27-31(21)17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3.
What are the key properties of 1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 443.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58577318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).